Geometry & MOs

Info

ID:	25613
PubChem CID:	627224
Reduced:	NBr2O2H17C23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	43.93
Dipole, Da:	1.91
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-(dimethylamino)-4,4-dimethylimidazol-2-yl]-2-phenylbutanoate

Drug info:

PubChemData

Smile

C1C(=NOC1(CC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations